Longifolene

Longifolene
Compound Structure:
Synonyms: 3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane; (+)-Longifolene; 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, [1S-(1.alpha.,3a.beta.,4.alpha.,8a.beta.)]-
Compound ID: NMPC-1209
PubChem ID:

289151

Molecular Formula: C15H24
Canonical SMILES: CC1(CCCC2(C3C1C(C2=C)CC3)C)C
InChIKey: PDSNLYSELAIEBU-UHFFFAOYSA-N
About the compound:

Longifolene is the common (or trivial) chemical name of a naturally occurring, oily liquid hydrocarbon found primarily in the high-boiling fraction of certain pine resins. The name is derived from that of a pine species from which the compound was isolated, Chemically, longifolene is a tricyclic sesquiterpene. This molecule is chiral, and the enantiomer commonly found in pines and other higher plants exhibits a positive optical rotation of +42.73°. The other enantiomer (optical rotation −42.73°) is found in small amounts in certain fungi and liverworts. Longifolene is also one of two most abundant aroma constituents of lapsangsouchong tea, because the tea is smoked over pinewood fires.

GHS Hazard Statements

H304 (97.97%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H317 (97.97%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H400 (99.94%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (97.97%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard].

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

5.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

312

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                        

Source Species: Thaumatococcus daniellii
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